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

Systemtic Name: aminocarbonyl 2-[1-(4-azanylbutyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: carbamoyl 2-[1-(4-aminobutyl)-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[1-(4-aminobutyl)-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid carbamoyl ester IUPAC Name: carbamoyl 2-[1-(4-aminobutyl)-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[1-(4-aminobutyl)-3-keto-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid carbamoyl ester Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O4/c25-13-6-7-14-28-20-11-5-4-10-19(20)17-27(15-12-18-8-2-1-3-9-18)23(30)21(28)16-22(29)32-24(26)31/h1-5,8-11,21H,6-7,12-17,25H2,(H2,26,31)