2-[8-[(4-carbamimidoylphenyl)carbonylamino]-2,3,4,5-tetrahydro-1H-1-benzazepin-2-yl]ethanoate

Systemtic Name: 2-[8-[(4-carbamimidoylphenyl)carbonylamino]-2,3,4,5-tetrahydro-1H-1-benzazepin-2-yl]ethanoate Openeye Name: 2-[8-[(4-carbamimidoylbenzoyl)amino]-2,3,4,5-tetrahydro-1H-1-benzazepin-2-yl]acetate CAS Name: 2-[8-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2,3,4,5-tetrahydro-1H-1-benzazepin-2-yl]acetate IUPAC Name: 2-[8-[(4-carbamimidoylbenzoyl)amino]-2,3,4,5-tetrahydro-1H-1-benzazepin-2-yl]acetate Traditional Name: 2-[8-[(4-amidinobenzoyl)amino]-2,3,4,5-tetrahydro-1H-1-benzazepin-2-yl]acetate Formula: C20H21N4O3- MolecularWeight: 365.40574

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC2=C(C1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)[O-]

Isomeric SMILES

C1CC(NC2=C(C1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)[O-]

InChI

InChI=1S/C20H22N4O3/c21-19(22)13-4-6-14(7-5-13)20(27)24-16-9-8-12-2-1-3-15(11-18(25)26)23-17(12)10-16/h4-10,15,23H,1-3,11H2,(H3,21,22)(H,24,27)(H,25,26)/p-1