(3S)-2-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)CN2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)CN2CC3=CC=CC=C3C[C@H]2C(=O)N

InChI

InChI=1S/C21H26N4O2/c1-24(2)18-9-7-15(8-10-18)12-23-20(26)14-25-13-17-6-4-3-5-16(17)11-19(25)21(22)27/h3-10,19H,11-14H2,1-2H3,(H2,22,27)(H,23,26)/t19-/m0/s1