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

Systemtic Name: 3-(morpholin-4-ylmethyl)-N-[(3S)-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide Openeye Name: 3-(morpholinomethyl)-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide CAS Name: 3-(4-morpholinylmethyl)-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide IUPAC Name: 3-(morpholin-4-ylmethyl)-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-(morpholinomethyl)benzamide Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=CC(=C2)C(=O)NC3C(=O)NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1CC2=CC=CC(=C2)C(=O)N[C@@H]3C(=O)NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c32-26(21-10-6-7-19(17-21)18-31-13-15-34-16-14-31)30-25-27(33)28-23-12-5-4-11-22(23)24(29-25)20-8-2-1-3-9-20/h1-12,17,25H,13-16,18H2,(H,28,33)(H,30,32)/t25-/m1/s1