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

Systemtic Name: (4-butoxyphenyl)-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-butoxyphenyl)-[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C30H38N4O2 MolecularWeight: 486.64832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3C(C)C)C)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3C(C)C)C)C4=CC=CC=C4

InChI

InChI=1S/C30H38N4O2/c1-5-6-21-36-26-15-13-25(14-16-26)30(35)34-18-10-17-33(19-20-34)29-27(22(2)3)23(4)31-28(32-29)24-11-8-7-9-12-24/h7-9,11-16,22H,5-6,10,17-21H2,1-4H3