4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)-N-[(3R)-2-oxidanylidene-1-(phenylmethyl)azepan-3-yl]piperidine-1-carboxamide

Systemtic Name: 4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)-N-[(3R)-2-oxidanylidene-1-(phenylmethyl)azepan-3-yl]piperidine-1-carboxamide Openeye Name: N-[(3R)-1-benzyl-2-oxo-azepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide CAS Name: 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(3R)-2-oxo-1-(phenylmethyl)-3-azepanyl]-1-piperidinecarboxamide IUPAC Name: N-[(3R)-1-benzyl-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide Traditional Name: N-[(3R)-1-benzyl-2-keto-azepan-3-yl]-4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide Formula: C27H33N5O3 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)N2CCC(CC2)N3CC4=CC=CC=C4NC3=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C(=O)[C@@H](C1)NC(=O)N2CCC(CC2)N3CC4=CC=CC=C4NC3=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H33N5O3/c33-25-24(12-6-7-15-31(25)18-20-8-2-1-3-9-20)29-26(34)30-16-13-22(14-17-30)32-19-21-10-4-5-11-23(21)28-27(32)35/h1-5,8-11,22,24H,6-7,12-19H2,(H,28,35)(H,29,34)/t24-/m1/s1