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

Systemtic Name: methylcarbamoyl 2-[4-(4-carbamimidoylphenyl)-3-oxidanylidene-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]ethanoate Openeye Name: methylcarbamoyl 2-[4-(4-carbamimidoylphenyl)-3-oxo-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]acetate CAS Name: 2-[4-(4-carbamimidoylphenyl)-3-oxo-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]acetic acid methylcarbamoyl ester IUPAC Name: methylcarbamoyl 2-[4-(4-carbamimidoylphenyl)-3-oxo-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]acetate Traditional Name: 2-[4-(4-amidinophenyl)-3-keto-2-phenethyl-1,5-dihydro-2-benzazepin-4-yl]acetic acid methylcarbamoyl ester Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC(=O)CC1(CC2=CC=CC=C2CN(C1=O)CCC3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CNC(=O)OC(=O)CC1(CC2=CC=CC=C2CN(C1=O)CCC3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C29H30N4O4/c1-32-28(36)37-25(34)18-29(24-13-11-21(12-14-24)26(30)31)17-22-9-5-6-10-23(22)19-33(27(29)35)16-15-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3,(H3,30,31)(H,32,36)