N-[1-[(4-ethanoylphenyl)carbamoyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[1-[(4-ethanoylphenyl)carbamoyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[1-[(4-acetylphenyl)carbamoyl]-4-piperidyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[1-[(4-acetylanilino)-oxomethyl]-4-piperidinyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[1-[(4-acetylphenyl)carbamoyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[1-[(4-acetylphenyl)carbamoyl]-4-piperidyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)N2CCC(CC2)NC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)N2CCC(CC2)NC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H28N4O3/c1-17(29)18-6-8-21(9-7-18)25-23(30)27-14-11-22(12-15-27)26-24(31)28-13-10-19-4-2-3-5-20(19)16-28/h2-9,22H,10-16H2,1H3,(H,25,30)(H,26,31)