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

Systemtic Name: N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-propan-2-yl-piperidin-2-yl]ethyl]-1-ethyl-piperidine-4-carboxamide Openeye Name: N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-isopropyl-2-piperidyl]ethyl]-1-ethyl-piperidine-4-carboxamide CAS Name: N-[2-[3-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-1-propan-2-yl-2-piperidinyl]ethyl]-1-ethyl-4-piperidinecarboxamide IUPAC Name: N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-propan-2-ylpiperidin-2-yl]ethyl]-1-ethylpiperidine-4-carboxamide Traditional Name: N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-isopropyl-2-piperidyl]ethyl]-1-ethyl-isonipecotamide Formula: C28H49N7O MolecularWeight: 499.73496

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)C(=O)NCCC2C(CCCN2C(C)C)NC3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

CCN1CCC(CC1)C(=O)NCCC2C(CCCN2C(C)C)NC3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C28H49N7O/c1-4-33-20-13-23(14-21-33)27(36)29-15-11-25-24(10-9-19-35(25)22(2)3)31-28-30-16-12-26(32-28)34-17-7-5-6-8-18-34/h12,16,22-25H,4-11,13-15,17-21H2,1-3H3,(H,29,36)(H,30,31,32)