4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-N-(phenylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-N-(phenylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-benzyl-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: 4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-N-(phenylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-benzyl-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-benzyl-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NCC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NCC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C27H33N5O/c1-20(2)24-21(3)29-25(23-13-8-5-9-14-23)30-26(24)31-15-10-16-32(18-17-31)27(33)28-19-22-11-6-4-7-12-22/h4-9,11-14,20H,10,15-19H2,1-3H3,(H,28,33)