1-[(3-azanyl-1-adamantyl)carbonyl]-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide

Systemtic Name: 1-[(3-azanyl-1-adamantyl)carbonyl]-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: 1-(3-aminoadamantane-1-carbonyl)-4-hydroxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-naphthylmethyl)-2-oxo-ethyl]pyrrolidine-2-carboxamide CAS Name: 1-[(3-amino-1-adamantyl)-oxomethyl]-4-hydroxy-N-[1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(3-aminoadamantane-1-carbonyl)-4-hydroxy-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide Traditional Name: 1-(3-aminoadamantane-1-carbonyl)-4-hydroxy-N-[2-keto-2-[4-(2-methoxyphenyl)piperazino]-1-(2-naphthylmethyl)ethyl]pyrrolidine-2-carboxamide Formula: C40H49N5O5 MolecularWeight: 679.84756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C(CC3=CC4=CC=CC=C4C=C3)NC(=O)C5CC(CN5C(=O)C67CC8CC(C6)CC(C8)(C7)N)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C(CC3=CC4=CC=CC=C4C=C3)NC(=O)C5CC(CN5C(=O)C67CC8CC(C6)CC(C8)(C7)N)O

InChI

InChI=1S/C40H49N5O5/c1-50-35-9-5-4-8-33(35)43-12-14-44(15-13-43)37(48)32(18-26-10-11-29-6-2-3-7-30(29)17-26)42-36(47)34-19-31(46)24-45(34)38(49)39-20-27-16-28(21-39)23-40(41,22-27)25-39/h2-11,17,27-28,31-32,34,46H,12-16,18-25,41H2,1H3,(H,42,47)