(4-methoxycyclohexyl)-[4-(6-naphthalen-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-methoxycyclohexyl)-[4-(6-naphthalen-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-methoxycyclohexyl)-[4-[6-(2-naphthyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone CAS Name: (4-methoxycyclohexyl)-[4-[6-(2-naphthalenyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4-methoxycyclohexyl)-[4-(6-naphthalen-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-methoxycyclohexyl)-[4-[6-(2-naphthyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)C(=O)N2CCCN(CC2)C3=NC=NC(=C3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC1CCC(CC1)C(=O)N2CCCN(CC2)C3=NC=NC(=C3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H32N4O2/c1-33-24-11-9-21(10-12-24)27(32)31-14-4-13-30(15-16-31)26-18-25(28-19-29-26)23-8-7-20-5-2-3-6-22(20)17-23/h2-3,5-8,17-19,21,24H,4,9-16H2,1H3