aminocarbonyl 2-[1-[3-(aminomethyl)phenyl]-5-oxidanylidene-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: aminocarbonyl 2-[1-[3-(aminomethyl)phenyl]-5-oxidanylidene-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: carbamoyl 2-[1-[3-(aminomethyl)phenyl]-5-oxo-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[1-[3-(aminomethyl)phenyl]-5-oxo-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-2-yl]acetic acid carbamoyl ester IUPAC Name: carbamoyl 2-[1-[3-(aminomethyl)phenyl]-5-oxo-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[1-[3-(aminomethyl)phenyl]-5-keto-4-phenethyl-2,3-dihydro-1,4-benzodiazepin-2-yl]acetic acid carbamoyl ester Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2C(=O)N1CCC3=CC=CC=C3)C4=CC=CC(=C4)CN)CC(=O)OC(=O)N

Isomeric SMILES

C1C(N(C2=CC=CC=C2C(=O)N1CCC3=CC=CC=C3)C4=CC=CC(=C4)CN)CC(=O)OC(=O)N

InChI

InChI=1S/C27H28N4O4/c28-17-20-9-6-10-21(15-20)31-22(16-25(32)35-27(29)34)18-30(14-13-19-7-2-1-3-8-19)26(33)23-11-4-5-12-24(23)31/h1-12,15,22H,13-14,16-18,28H2,(H2,29,34)