N-[2-(azepan-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[2-(1-azepanyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C22H25N5O/c28-22(19-11-9-18(10-12-19)15-27-17-23-16-24-27)25-20-7-3-4-8-21(20)26-13-5-1-2-6-14-26/h3-4,7-12,16-17H,1-2,5-6,13-15H2,(H,25,28)