(4-butoxyphenyl)-[4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-(2,6-dimethyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-butoxyphenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C25H36N4O2 MolecularWeight: 424.57894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3C(C)C)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3C(C)C)C)C

InChI

InChI=1S/C25H36N4O2/c1-6-7-17-31-22-11-9-21(10-12-22)25(30)29-14-8-13-28(15-16-29)24-23(18(2)3)19(4)26-20(5)27-24/h9-12,18H,6-8,13-17H2,1-5H3