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

Systemtic Name: (4-methoxyphenyl)-[4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: [4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone CAS Name: (4-methoxyphenyl)-[4-[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone Traditional Name: [4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone Formula: C31H32N4O2 MolecularWeight: 492.61138

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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=C(C=C4)OC)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4=CC=C(C=C4)OC)CC5=CC=CC=C5

InChI

InChI=1S/C31H32N4O2/c1-23-28(22-24-10-5-3-6-11-24)30(33-29(32-23)25-12-7-4-8-13-25)34-18-9-19-35(21-20-34)31(36)26-14-16-27(37-2)17-15-26/h3-8,10-17H,9,18-22H2,1-2H3