N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)phenyl]pyridine-4-carboxamide

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)phenyl]pyridine-4-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]pyridine-4-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]phenyl]-4-pyridinecarboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]pyridine-4-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]isonicotinamide Formula: C28H36N6O3 MolecularWeight: 504.62384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=NC=C5

InChI

InChI=1S/C28H36N6O3/c29-22-5-7-23(8-6-22)31-27(36)21-4-9-25(24(18-21)32-26(35)19-10-12-30-13-11-19)33-14-1-15-34(17-16-33)28(37)20-2-3-20/h4,9-13,18,20,22-23H,1-3,5-8,14-17,29H2,(H,31,36)(H,32,35)