[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: [4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-(1-naphthyl)methanone CAS Name: [4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]-(1-naphthalenyl)methanone IUPAC Name: [4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-(1-naphthyl)methanone Formula: C31H34N4O MolecularWeight: 478.62786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)CC5=CC=C(C=C5)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)CC5=CC=C(C=C5)C

InChI

InChI=1S/C31H34N4O/c1-4-29-28(21-24-15-13-22(2)14-16-24)30(33-23(3)32-29)34-17-8-18-35(20-19-34)31(36)27-12-7-10-25-9-5-6-11-26(25)27/h5-7,9-16H,4,8,17-21H2,1-3H3