2-[8-[[4-(aminomethyl)phenoxy]methyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[8-[[4-(aminomethyl)phenoxy]methyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[8-[[4-(aminomethyl)phenoxy]methyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[8-[[4-(aminomethyl)phenoxy]methyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[8-[[4-(aminomethyl)phenoxy]methyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[8-[[4-(aminomethyl)phenoxy]methyl]-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Formula: C27H28N3O4- MolecularWeight: 458.52892

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)COC3=CC=C(C=C3)CN)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)[O-]

Isomeric SMILES

C1C2=C(C=C(C=C2)COC3=CC=C(C=C3)CN)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)[O-]

InChI

InChI=1S/C27H29N3O4/c28-16-20-7-10-23(11-8-20)34-18-21-6-9-22-17-30(13-12-19-4-2-1-3-5-19)27(33)25(15-26(31)32)29-24(22)14-21/h1-11,14,25,29H,12-13,15-18,28H2,(H,31,32)/p-1