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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[4-(1-azepanyl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C21H23N5O/c27-21(17-5-9-20(10-6-17)26-16-22-15-23-26)24-18-7-11-19(12-8-18)25-13-3-1-2-4-14-25/h5-12,15-16H,1-4,13-14H2,(H,24,27)