azanyl 2-[4-(4-carbamimidoylphenyl)carbonyl-3-oxidanylidene-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]ethanoate

Systemtic Name: azanyl 2-[4-(4-carbamimidoylphenyl)carbonyl-3-oxidanylidene-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]ethanoate Openeye Name: amino 2-[4-(4-carbamimidoylbenzoyl)-3-oxo-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]acetate CAS Name: 2-[4-[(4-carbamimidoylphenyl)-oxomethyl]-3-oxo-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]acetic acid amino ester IUPAC Name: amino 2-[4-(4-carbamimidoylbenzoyl)-3-oxo-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]acetate Traditional Name: 2-[4-(4-amidinobenzoyl)-3-keto-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]acetic acid amino ester Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2CN(C(=O)C1(CC(=O)ON)C(=O)C3=CC=C(C=C3)C(=N)N)CCC4=CC=CC=C4

Isomeric SMILES

C1C2=CC=CC=C2CN(C(=O)C1(CC(=O)ON)C(=O)C3=CC=C(C=C3)C(=N)N)CCC4=CC=CC=C4

InChI

InChI=1S/C28H28N4O4/c29-26(30)21-12-10-20(11-13-21)25(34)28(17-24(33)36-31)16-22-8-4-5-9-23(22)18-32(27(28)35)15-14-19-6-2-1-3-7-19/h1-13H,14-18,31H2,(H3,29,30)