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

Systemtic Name: [4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-phenylphenyl)methanone Openeye Name: [4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-phenylphenyl)methanone CAS Name: [4-(2,6-dimethyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]-(4-phenylphenyl)methanone IUPAC Name: [4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-phenylphenyl)methanone Traditional Name: [4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-phenylphenyl)methanone Formula: C27H32N4O MolecularWeight: 428.56918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(C)C

InChI

InChI=1S/C27H32N4O/c1-19(2)25-20(3)28-21(4)29-26(25)30-15-8-16-31(18-17-30)27(32)24-13-11-23(12-14-24)22-9-6-5-7-10-22/h5-7,9-14,19H,8,15-18H2,1-4H3