2-[8-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-3-oxidanylidene-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[8-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-3-oxidanylidene-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[8-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[8-[(4-carbamimidoyl-N-methylanilino)-oxomethyl]-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[8-[(4-carbamimidoylphenyl)-methylcarbamoyl]-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[8-[(4-amidinophenyl)-methyl-carbamoyl]-3-keto-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]acetate Formula: C20H20N5O4- MolecularWeight: 394.4039

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=N)N)C(=O)C2=CC3=C(CNC(=O)C(N3)CC(=O)[O-])C=C2

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=N)N)C(=O)C2=CC3=C(CNC(=O)C(N3)CC(=O)[O-])C=C2

InChI

InChI=1S/C20H21N5O4/c1-25(14-6-4-11(5-7-14)18(21)22)20(29)12-2-3-13-10-23-19(28)16(9-17(26)27)24-15(13)8-12/h2-8,16,24H,9-10H2,1H3,(H3,21,22)(H,23,28)(H,26,27)/p-1