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

Systemtic Name: cyclopentyl-[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]-cyclopentyl-methanone CAS Name: cyclopentyl-[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]-cyclopentylmethanone Traditional Name: [4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclopentyl-methanone Formula: C29H34N4O MolecularWeight: 454.60646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4CCCC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4CCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H34N4O/c1-22-26(21-23-11-4-2-5-12-23)28(31-27(30-22)24-13-6-3-7-14-24)32-17-10-18-33(20-19-32)29(34)25-15-8-9-16-25/h2-7,11-14,25H,8-10,15-21H2,1H3