N-[3-(2-diethylaminoethylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-(2-diethylaminoethylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(2-diethylaminoethylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[(2-diethylaminoethylamino)-oxomethyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(2-diethylaminoethylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-(2-diethylaminoethylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazino]phenyl]adamantane-1-carboxamide Formula: C35H49N5O3 MolecularWeight: 587.79526

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCN(CC5)C6=CC=CC=C6OC

Isomeric SMILES

CCN(CC)CCNC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCN(CC5)C6=CC=CC=C6OC

InChI

InChI=1S/C35H49N5O3/c1-4-38(5-2)13-12-36-33(41)29-21-28(37-34(42)35-22-25-18-26(23-35)20-27(19-25)24-35)10-11-30(29)39-14-16-40(17-15-39)31-8-6-7-9-32(31)43-3/h6-11,21,25-27H,4-5,12-20,22-24H2,1-3H3,(H,36,41)(H,37,42)