(3S)-3-(2-methylpropyl)-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: (3S)-3-(2-methylpropyl)-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: (3S)-3-isobutyl-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: (3S)-3-(2-methylpropyl)-5-phenyl-9-(1-piperazinyl)-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: (3S)-3-(2-methylpropyl)-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: (3S)-3-isobutyl-5-phenyl-9-piperazino-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C23H28N4O MolecularWeight: 376.49462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)NC2=C(C=CC=C2N3CCNCC3)C(=N1)C4=CC=CC=C4

Isomeric SMILES

CC(C)C[C@H]1C(=O)NC2=C(C=CC=C2N3CCNCC3)C(=N1)C4=CC=CC=C4

InChI

InChI=1S/C23H28N4O/c1-16(2)15-19-23(28)26-22-18(21(25-19)17-7-4-3-5-8-17)9-6-10-20(22)27-13-11-24-12-14-27/h3-10,16,19,24H,11-15H2,1-2H3,(H,26,28)/t19-/m0/s1