N-[(3S)-1-(2-methylpropyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

Systemtic Name: N-[(3S)-1-(2-methylpropyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide Openeye Name: N-[(3S)-1-isobutyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide CAS Name: N-[(3S)-1-(2-methylpropyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinecarboxamide IUPAC Name: N-[(3S)-1-(2-methylpropyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide Traditional Name: N-[(3S)-1-isobutyl-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide Formula: C33H36N6O3 MolecularWeight: 564.67734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O)C6=CC=CC=C6

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2C(=N[C@@H](C1=O)NC(=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O)C6=CC=CC=C6

InChI

InChI=1S/C33H36N6O3/c1-22(2)20-39-28-15-9-7-13-26(28)29(23-10-4-3-5-11-23)35-30(31(39)40)36-32(41)37-18-16-25(17-19-37)38-21-24-12-6-8-14-27(24)34-33(38)42/h3-15,22,25,30H,16-21H2,1-2H3,(H,34,42)(H,36,41)/t30-/m1/s1