1-carbamimidoyl-N-[2-[(4-methoxyphenyl)carbonylamino]phenyl]piperidine-3-carboxamide

Systemtic Name: 1-carbamimidoyl-N-[2-[(4-methoxyphenyl)carbonylamino]phenyl]piperidine-3-carboxamide Openeye Name: 1-carbamimidoyl-N-[2-[(4-methoxybenzoyl)amino]phenyl]piperidine-3-carboxamide CAS Name: 1-carbamimidoyl-N-[2-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]-3-piperidinecarboxamide IUPAC Name: 1-carbamimidoyl-N-[2-[(4-methoxybenzoyl)amino]phenyl]piperidine-3-carboxamide Traditional Name: 1-amidino-N-[2-(p-anisoylamino)phenyl]nipecotamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)C3CCCN(C3)C(=N)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)C3CCCN(C3)C(=N)N

InChI

InChI=1S/C21H25N5O3/c1-29-16-10-8-14(9-11-16)19(27)24-17-6-2-3-7-18(17)25-20(28)15-5-4-12-26(13-15)21(22)23/h2-3,6-11,15H,4-5,12-13H2,1H3,(H3,22,23)(H,24,27)(H,25,28)