aminocarbonyl 2-[1-(6-azanylhexyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: aminocarbonyl 2-[1-(6-azanylhexyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: carbamoyl 2-[1-(6-aminohexyl)-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[1-(6-aminohexyl)-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid carbamoyl ester IUPAC Name: carbamoyl 2-[1-(6-aminohexyl)-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[1-(6-aminohexyl)-3-keto-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid carbamoyl ester Formula: C26H34N4O4 MolecularWeight: 466.57256

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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)CCCCCCN

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O4/c27-15-8-1-2-9-16-30-22-13-7-6-12-21(22)19-29(17-14-20-10-4-3-5-11-20)25(32)23(30)18-24(31)34-26(28)33/h3-7,10-13,23H,1-2,8-9,14-19,27H2,(H2,28,33)