N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-cyclohexyl-piperidin-2-yl]ethyl]pyridine-4-carboxamide

Systemtic Name: N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-cyclohexyl-piperidin-2-yl]ethyl]pyridine-4-carboxamide Openeye Name: N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-cyclohexyl-2-piperidyl]ethyl]pyridine-4-carboxamide CAS Name: N-[2-[3-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-1-cyclohexyl-2-piperidinyl]ethyl]-4-pyridinecarboxamide IUPAC Name: N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-cyclohexylpiperidin-2-yl]ethyl]pyridine-4-carboxamide Traditional Name: N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-cyclohexyl-2-piperidyl]ethyl]isonicotinamide Formula: C29H43N7O MolecularWeight: 505.69802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3CCNC(=O)C4=CC=NC=C4)C5CCCCC5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3CCNC(=O)C4=CC=NC=C4)C5CCCCC5

InChI

InChI=1S/C29H43N7O/c37-28(23-12-16-30-17-13-23)31-18-14-26-25(11-8-22-36(26)24-9-4-3-5-10-24)33-29-32-19-15-27(34-29)35-20-6-1-2-7-21-35/h12-13,15-17,19,24-26H,1-11,14,18,20-22H2,(H,31,37)(H,32,33,34)