(3S)-2-[2-(2-butylbenzimidazol-1-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[2-(2-butylbenzimidazol-1-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-(2-butylbenzimidazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-(2-butyl-1-benzimidazolyl)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-(2-butylbenzimidazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-(2-butylbenzimidazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2N1CC(=O)N3CC4=CC=CC=C4CC3C(=O)N

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2N1CC(=O)N3CC4=CC=CC=C4C[C@H]3C(=O)N

InChI

InChI=1S/C23H26N4O2/c1-2-3-12-21-25-18-10-6-7-11-19(18)26(21)15-22(28)27-14-17-9-5-4-8-16(17)13-20(27)23(24)29/h4-11,20H,2-3,12-15H2,1H3,(H2,24,29)/t20-/m0/s1