[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-naphthalen-2-yl-methanone

Systemtic Name: [4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-naphthalen-2-yl-methanone Openeye Name: [4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-(2-naphthyl)methanone CAS Name: [4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-(2-naphthalenyl)methanone IUPAC Name: [4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]-naphthalen-2-ylmethanone Traditional Name: [4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-(2-naphthyl)methanone Formula: C30H31FN4O MolecularWeight: 482.591743

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC(=CC=C5)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC(=CC=C5)F

InChI

InChI=1S/C30H31FN4O/c1-3-28-27(19-22-8-6-11-26(31)18-22)29(33-21(2)32-28)34-14-7-15-35(17-16-34)30(36)25-13-12-23-9-4-5-10-24(23)20-25/h4-6,8-13,18,20H,3,7,14-17,19H2,1-2H3