N-(1-adamantyl)-4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(1-adamantyl)-4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(1-adamantyl)-4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[5-(4-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Formula: C34H40ClN5O MolecularWeight: 570.1673

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5)CC7=CC=C(C=C7)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5)CC7=CC=C(C=C7)Cl

InChI

InChI=1S/C34H40ClN5O/c1-23-30(19-24-8-10-29(35)11-9-24)32(37-31(36-23)28-6-3-2-4-7-28)39-12-5-13-40(15-14-39)33(41)38-34-20-25-16-26(21-34)18-27(17-25)22-34/h2-4,6-11,25-27H,5,12-22H2,1H3,(H,38,41)