N-[(1-carbamimidoylpiperidin-4-yl)methyl]-4-methyl-3-oxidanyl-5-(2-pyridin-3-ylethoxy)benzamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-4-yl)methyl]-4-methyl-3-oxidanyl-5-(2-pyridin-3-ylethoxy)benzamide Openeye Name: N-[(1-carbamimidoyl-4-piperidyl)methyl]-3-hydroxy-4-methyl-5-[2-(3-pyridyl)ethoxy]benzamide CAS Name: N-[(1-carbamimidoyl-4-piperidinyl)methyl]-3-hydroxy-4-methyl-5-[2-(3-pyridinyl)ethoxy]benzamide IUPAC Name: N-[(1-carbamimidoylpiperidin-4-yl)methyl]-3-hydroxy-4-methyl-5-(2-pyridin-3-ylethoxy)benzamide Traditional Name: N-[(1-amidino-4-piperidyl)methyl]-3-hydroxy-4-methyl-5-[2-(3-pyridyl)ethoxy]benzamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OCCC2=CN=CC=C2)C(=O)NCC3CCN(CC3)C(=N)N)O

Isomeric SMILES

CC1=C(C=C(C=C1OCCC2=CN=CC=C2)C(=O)NCC3CCN(CC3)C(=N)N)O

InChI

InChI=1S/C22H29N5O3/c1-15-19(28)11-18(12-20(15)30-10-6-16-3-2-7-25-13-16)21(29)26-14-17-4-8-27(9-5-17)22(23)24/h2-3,7,11-13,17,28H,4-6,8-10,14H2,1H3,(H3,23,24)(H,26,29)