N-[[4-carbamimidoyl-2-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]phenyl]methyl]-3-methyl-benzamide hydrochloride

Systemtic Name: N-[[4-carbamimidoyl-2-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]phenyl]methyl]-3-methyl-benzamide hydrochloride Openeye Name: N-[[4-carbamimidoyl-2-[(2-morpholino-2-oxo-ethyl)amino]phenyl]methyl]-3-methyl-benzamide hydrochloride CAS Name: N-[[4-carbamimidoyl-2-[[2-(4-morpholinyl)-2-oxoethyl]amino]phenyl]methyl]-3-methylbenzamide hydrochloride IUPAC Name: N-[[4-carbamimidoyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]phenyl]methyl]-3-methylbenzamide hydrochloride Traditional Name: N-[4-amidino-2-[(2-keto-2-morpholino-ethyl)amino]benzyl]-3-methyl-benzamide hydrochloride Formula: C22H28ClN5O3 MolecularWeight: 445.94242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCC(=O)N3CCOCC3.Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCC(=O)N3CCOCC3.Cl

InChI

InChI=1S/C22H27N5O3.ClH/c1-15-3-2-4-17(11-15)22(29)26-13-18-6-5-16(21(23)24)12-19(18)25-14-20(28)27-7-9-30-10-8-27;/h2-6,11-12,25H,7-10,13-14H2,1H3,(H3,23,24)(H,26,29);1H