N-[(3S)-2-oxidanylideneazepan-3-yl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidinecarboxamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)isonipecotamide Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2CCN(CC2)C3=NC(=NC4=C3CCC4)C5=CC=CC=C5

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2CCN(CC2)C3=NC(=NC4=C3CCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H31N5O2/c31-24(28-21-10-4-5-14-26-25(21)32)18-12-15-30(16-13-18)23-19-9-6-11-20(19)27-22(29-23)17-7-2-1-3-8-17/h1-3,7-8,18,21H,4-6,9-16H2,(H,26,32)(H,28,31)/t21-/m0/s1