N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methyl-phenyl]pyridine-3-carboxamide

Systemtic Name: N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methyl-phenyl]pyridine-3-carboxamide Openeye Name: N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methyl-phenyl]pyridine-3-carboxamide CAS Name: N-[5-[[[3-(aminomethyl)cyclohexyl]methylamino]-oxomethyl]-2-methylphenyl]-3-pyridinecarboxamide IUPAC Name: N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide Traditional Name: N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methyl-phenyl]nicotinamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2CCCC(C2)CN)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2CCCC(C2)CN)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H28N4O2/c1-15-7-8-18(11-20(15)26-22(28)19-6-3-9-24-14-19)21(27)25-13-17-5-2-4-16(10-17)12-23/h3,6-9,11,14,16-17H,2,4-5,10,12-13,23H2,1H3,(H,25,27)(H,26,28)