3-carbamimidoyl-N-[(1R)-2-oxidanylidene-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide

Systemtic Name: 3-carbamimidoyl-N-[(1R)-2-oxidanylidene-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide Openeye Name: 3-carbamimidoyl-N-[(1R)-2-oxo-1-phenyl-2-[4-(4-pyridyl)piperazin-1-yl]ethyl]benzamide CAS Name: 3-carbamimidoyl-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]benzamide IUPAC Name: 3-carbamimidoyl-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide Traditional Name: 3-amidino-N-[(1R)-2-keto-1-phenyl-2-[4-(4-pyridyl)piperazino]ethyl]benzamide Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(=O)C(C3=CC=CC=C3)NC(=O)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)[C@@H](C3=CC=CC=C3)NC(=O)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C25H26N6O2/c26-23(27)19-7-4-8-20(17-19)24(32)29-22(18-5-2-1-3-6-18)25(33)31-15-13-30(14-16-31)21-9-11-28-12-10-21/h1-12,17,22H,13-16H2,(H3,26,27)(H,29,32)/t22-/m1/s1