1-[[4-(2,5-dihydropyrrol-1-ylcarbonyl)phenyl]methyl]-4-piperidin-4-ylcarbonyl-3,5-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 1-[[4-(2,5-dihydropyrrol-1-ylcarbonyl)phenyl]methyl]-4-piperidin-4-ylcarbonyl-3,5-dihydro-1,4-benzodiazepin-2-one Openeye Name: 1-[[4-(2,5-dihydropyrrole-1-carbonyl)phenyl]methyl]-4-(piperidine-4-carbonyl)-3,5-dihydro-1,4-benzodiazepin-2-one CAS Name: 1-[[4-[2,5-dihydropyrrol-1-yl(oxo)methyl]phenyl]methyl]-4-[oxo(4-piperidinyl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 1-[[4-(2,5-dihydropyrrole-1-carbonyl)phenyl]methyl]-4-(piperidine-4-carbonyl)-3,5-dihydro-1,4-benzodiazepin-2-one Traditional Name: 4-isonipecotoyl-1-[4-(3-pyrroline-1-carbonyl)benzyl]-3,5-dihydro-1,4-benzodiazepin-2-one Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)N2CC3=CC=CC=C3N(C(=O)C2)CC4=CC=C(C=C4)C(=O)N5CC=CC5

Isomeric SMILES

C1CNCCC1C(=O)N2CC3=CC=CC=C3N(C(=O)C2)CC4=CC=C(C=C4)C(=O)N5CC=CC5

InChI

InChI=1S/C27H30N4O3/c32-25-19-30(27(34)22-11-13-28-14-12-22)18-23-5-1-2-6-24(23)31(25)17-20-7-9-21(10-8-20)26(33)29-15-3-4-16-29/h1-10,22,28H,11-19H2