2-[7-[(4-carbamimidoylphenyl)methylcarbamoyl]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoate

Systemtic Name: 2-[7-[(4-carbamimidoylphenyl)methylcarbamoyl]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoate Openeye Name: 2-[7-[(4-carbamimidoylphenyl)methylcarbamoyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetate CAS Name: 2-[7-[[(4-carbamimidoylphenyl)methylamino]-oxomethyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetate IUPAC Name: 2-[7-[(4-carbamimidoylphenyl)methylcarbamoyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetate Traditional Name: 2-[7-[(4-amidinobenzyl)carbamoyl]-3-keto-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetate Formula: C29H29N4O4- MolecularWeight: 497.56496

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(CC2=C1C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N)CCC4=CC=CC=C4)CC(=O)[O-]

Isomeric SMILES

C1C(C(=O)N(CC2=C1C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N)CCC4=CC=CC=C4)CC(=O)[O-]

InChI

InChI=1S/C29H30N4O4/c30-27(31)21-8-6-20(7-9-21)17-32-28(36)22-10-11-23-18-33(13-12-19-4-2-1-3-5-19)29(37)25(16-26(34)35)15-24(23)14-22/h1-11,14,25H,12-13,15-18H2,(H3,30,31)(H,32,36)(H,34,35)/p-1