4-(4-carbamimidoyl-2-methyl-phenyl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide

Systemtic Name: 4-(4-carbamimidoyl-2-methyl-phenyl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide Openeye Name: 4-(4-carbamimidoyl-2-methyl-phenyl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide CAS Name: 4-(4-carbamimidoyl-2-methylphenyl)-N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]benzamide IUPAC Name: 4-(4-carbamimidoyl-2-methylphenyl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide Traditional Name: 4-(4-amidino-2-methyl-phenyl)-N-[4-methoxy-3-(4-methylpiperazino)phenyl]benzamide Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=N)N)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)N4CCN(CC4)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=N)N)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)N4CCN(CC4)C

InChI

InChI=1S/C27H31N5O2/c1-18-16-21(26(28)29)8-10-23(18)19-4-6-20(7-5-19)27(33)30-22-9-11-25(34-3)24(17-22)32-14-12-31(2)13-15-32/h4-11,16-17H,12-15H2,1-3H3,(H3,28,29)(H,30,33)