3-[2,5-bis(oxidanylidene)-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 3-[2,5-bis(oxidanylidene)-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(3-pyridylmethyl)propanamide CAS Name: 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-(2,5-diketo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(3-pyridylmethyl)propionamide Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC(C(=O)N2)CCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NC(C(=O)N2)CCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C18H18N4O3/c23-16(20-11-12-4-3-9-19-10-12)8-7-15-18(25)21-14-6-2-1-5-13(14)17(24)22-15/h1-6,9-10,15H,7-8,11H2,(H,20,23)(H,21,25)(H,22,24)