5-azanylpentylcarbamoyl 2-(3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate

Systemtic Name: 5-azanylpentylcarbamoyl 2-(3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate Openeye Name: 5-aminopentylcarbamoyl 2-(3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate CAS Name: 2-(3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid [(5-aminopentylamino)-oxomethyl] ester IUPAC Name: 5-aminopentylcarbamoyl 2-(3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate Traditional Name: 2-(3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid 5-aminopentylcarbamoyl ester Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)OC(=O)NCCCCCN

Isomeric SMILES

C1C2=CC=CC=C2NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)OC(=O)NCCCCCN

InChI

InChI=1S/C25H32N4O4/c26-14-7-2-8-15-27-25(32)33-23(30)17-22-24(31)29(16-13-19-9-3-1-4-10-19)18-20-11-5-6-12-21(20)28-22/h1,3-6,9-12,22,28H,2,7-8,13-18,26H2,(H,27,32)