(5-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-yl)carbamoyl benzoate

Systemtic Name: (5-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-yl)carbamoyl benzoate Openeye Name: (5-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-yl)carbamoyl benzoate CAS Name: benzoic acid [oxo-[(5-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-yl)amino]methyl] ester IUPAC Name: (5-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-yl)carbamoyl benzoate Traditional Name: benzoic acid (5-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-yl)carbamoyl ester Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2NC1NC(=O)OC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(C2=CC=CC=C2NC1NC(=O)OC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3/c27-22(17-9-3-1-4-10-17)29-23(28)25-21-15-16-26(18-11-5-2-6-12-18)20-14-8-7-13-19(20)24-21/h1-14,21,24H,15-16H2,(H,25,28)