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

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

C1CC2=CC=CC=C2NC(C1NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)[O-]

Isomeric SMILES

C1CC2=CC=CC=C2NC(C1NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)[O-]

InChI

InChI=1S/C20H22N4O3/c21-19(22)13-5-7-14(8-6-13)20(27)24-16-10-9-12-3-1-2-4-15(12)23-17(16)11-18(25)26/h1-8,16-17,23H,9-11H2,(H3,21,22)(H,24,27)(H,25,26)/p-1