N-[3-[ethyl-(phenylmethyl)amino]propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-[3-[ethyl-(phenylmethyl)amino]propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-[3-[benzyl(ethyl)amino]propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-[3-[ethyl-(phenylmethyl)amino]propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-[3-[benzyl(ethyl)amino]propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-[3-[benzyl(ethyl)amino]propyl]-1-keto-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinoline-4-carboxamide Formula: C30H35N3O3 MolecularWeight: 485.6172

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)C)C3=CC=C(C=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CCN(CCCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)C)C3=CC=C(C=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C30H35N3O3/c1-4-33(21-22-11-6-5-7-12-22)20-10-19-31-29(34)27-25-13-8-9-14-26(25)30(35)32(2)28(27)23-15-17-24(36-3)18-16-23/h5-9,11-18,27-28H,4,10,19-21H2,1-3H3,(H,31,34)