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

Systemtic Name: aminocarbonyl 2-[1-(5-azanylpentyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: carbamoyl 2-[1-(5-aminopentyl)-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[1-(5-aminopentyl)-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid carbamoyl ester IUPAC Name: carbamoyl 2-[1-(5-aminopentyl)-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[1-(5-aminopentyl)-3-keto-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid carbamoyl ester Formula: C25H32N4O4 MolecularWeight: 452.54598

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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)CCCCCN

Isomeric SMILES

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

InChI

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