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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N(C(C(=O)N1CCC3=CC=CC=C3)CC(=O)OC(=O)N)C4=CC=C(C=C4)CN

Isomeric SMILES

C1C2=CC=CC=C2N(C(C(=O)N1CCC3=CC=CC=C3)CC(=O)OC(=O)N)C4=CC=C(C=C4)CN

InChI

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