(3R)-2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H23N3O2 MolecularWeight: 373.44762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CC4=CC=CC=C4CC3C(=O)N)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CC4=CC=CC=C4C[C@@H]3C(=O)N)C

InChI

InChI=1S/C23H23N3O2/c1-15-7-8-16(2)26(15)20-11-9-17(10-12-20)23(28)25-14-19-6-4-3-5-18(19)13-21(25)22(24)27/h3-12,21H,13-14H2,1-2H3,(H2,24,27)/t21-/m1/s1