2,4-dimethyl-N-[4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]phenyl]benzamide

Systemtic Name: 2,4-dimethyl-N-[4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]phenyl]benzamide Openeye Name: 2,4-dimethyl-N-[4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-1-piperidyl]phenyl]benzamide CAS Name: 2,4-dimethyl-N-[4-[4-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]-1-piperidinyl]phenyl]benzamide IUPAC Name: 2,4-dimethyl-N-[4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]phenyl]benzamide Traditional Name: 2,4-dimethyl-N-[4-[4-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]piperidino]phenyl]benzamide Formula: C29H36N6O MolecularWeight: 484.63574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCC(CC3)N4CCCN(CC4)C5=NC=CC=N5)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCC(CC3)N4CCCN(CC4)C5=NC=CC=N5)C

InChI

InChI=1S/C29H36N6O/c1-22-5-10-27(23(2)21-22)28(36)32-24-6-8-25(9-7-24)34-17-11-26(12-18-34)33-15-4-16-35(20-19-33)29-30-13-3-14-31-29/h3,5-10,13-14,21,26H,4,11-12,15-20H2,1-2H3,(H,32,36)