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

Systemtic Name: [4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-naphthalen-2-yl-methanone Openeye Name: [4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-naphthyl)methanone CAS Name: [4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-(2-naphthalenyl)methanone IUPAC Name: [4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]-naphthalen-2-ylmethanone Traditional Name: [4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-naphthyl)methanone Formula: C29H30N4O MolecularWeight: 450.5747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O/c1-21-27(19-23-9-4-3-5-10-23)28(31-22(2)30-21)32-15-8-16-33(18-17-32)29(34)26-14-13-24-11-6-7-12-25(24)20-26/h3-7,9-14,20H,8,15-19H2,1-2H3