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

Systemtic Name: N-ethyl-4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-ethyl-1,4-diazepane-1-carboxamide CAS Name: N-ethyl-4-[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)-N-ethyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-ethyl-1,4-diazepane-1-carboxamide Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCNC(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C26H31N5O/c1-3-27-26(32)31-16-10-15-30(17-18-31)25-23(19-21-11-6-4-7-12-21)20(2)28-24(29-25)22-13-8-5-9-14-22/h4-9,11-14H,3,10,15-19H2,1-2H3,(H,27,32)