(3-methoxyphenyl)-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-methoxyphenyl)-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: [4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone CAS Name: (3-methoxyphenyl)-[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3-methoxyphenyl)-[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: [4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4=CC(=CC=C4)OC)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4=CC(=CC=C4)OC)C(C)C

InChI

InChI=1S/C27H32N4O2/c1-19(2)24-20(3)28-25(21-10-6-5-7-11-21)29-26(24)30-14-9-15-31(17-16-30)27(32)22-12-8-13-23(18-22)33-4/h5-8,10-13,18-19H,9,14-17H2,1-4H3