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

Systemtic Name: [4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-cyclopropyl-methanone Openeye Name: [4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-cyclopropyl-methanone CAS Name: [4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-cyclopropylmethanone IUPAC Name: [4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-1,4-diazepan-1-yl]-cyclopropylmethanone Traditional Name: [4-[5-(4-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-cyclopropyl-methanone Formula: C27H29ClN4O MolecularWeight: 460.99836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4CC4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4CC4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H29ClN4O/c1-19-24(18-20-8-12-23(28)13-9-20)26(30-25(29-19)21-6-3-2-4-7-21)31-14-5-15-32(17-16-31)27(33)22-10-11-22/h2-4,6-9,12-13,22H,5,10-11,14-18H2,1H3