(phenylmethyl) 2-[4-(oxidanylidenemethylidene)-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[4-(oxidanylidenemethylidene)-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]piperidine-1-carboxylate Openeye Name: benzyl 2-[4-(oxomethylene)-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]piperidine-1-carboxylate CAS Name: 2-[4-(oxomethylidene)-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(oxomethylidene)-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]piperidine-1-carboxylate Traditional Name: 2-[4-(ketomethylene)-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]piperidine-1-carboxylic acid benzyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)N2C(=C=O)CCNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)N2C(=C=O)CCNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3/c27-16-19-13-14-24-20-10-4-5-11-21(20)26(19)22-12-6-7-15-25(22)23(28)29-17-18-8-2-1-3-9-18/h1-5,8-11,22,24H,6-7,12-15,17H2