3-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide

Systemtic Name: 3-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide Openeye Name: 3-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide CAS Name: 3-(4-methyl-1-piperazinyl)-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide IUPAC Name: 3-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide Traditional Name: N-[(3S)-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-(4-methylpiperazino)benzamide Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC(=C2)C(=O)NC3C(=O)NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC(=C2)C(=O)N[C@@H]3C(=O)NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2/c1-31-14-16-32(17-15-31)21-11-7-10-20(18-21)26(33)30-25-27(34)28-23-13-6-5-12-22(23)24(29-25)19-8-3-2-4-9-19/h2-13,18,25H,14-17H2,1H3,(H,28,34)(H,30,33)/t25-/m1/s1