N-[4-(azepan-1-yl)phenyl]-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-phenyl-triazole-4-carboxamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-phenyltriazole-4-carboxamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-phenyl-triazole-4-carboxamide 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=NN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O/c27-21(20-16-22-26(24-20)19-8-4-3-5-9-19)23-17-10-12-18(13-11-17)25-14-6-1-2-7-15-25/h3-5,8-13,16H,1-2,6-7,14-15H2,(H,23,27)