4-(3-cyanopyridin-2-yl)-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-cyanopyridin-2-yl)-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(4-benzyloxyphenyl)-4-(3-cyano-2-pyridyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-cyano-2-pyridinyl)-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyanopyridin-2-yl)-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(4-benzoxyphenyl)-4-(3-cyano-2-pyridyl)-1,4-diazepane-1-carboxamide Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=C(C=CC=N4)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=C(C=CC=N4)C#N

InChI

InChI=1S/C25H25N5O2/c26-18-21-8-4-13-27-24(21)29-14-5-15-30(17-16-29)25(31)28-22-9-11-23(12-10-22)32-19-20-6-2-1-3-7-20/h1-4,6-13H,5,14-17,19H2,(H,28,31)