(4-methyl-1,4-diazepan-1-yl)-[1-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]methanone

Systemtic Name: (4-methyl-1,4-diazepan-1-yl)-[1-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]methanone Openeye Name: (5-benzyl-1-phenyl-1,2,4-triazol-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone CAS Name: (4-methyl-1,4-diazepan-1-yl)-[1-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]methanone IUPAC Name: (5-benzyl-1-phenyl-1,2,4-triazol-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone Traditional Name: (5-benzyl-1-phenyl-1,2,4-triazol-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)C2=NN(C(=N2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1CCCN(CC1)C(=O)C2=NN(C(=N2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O/c1-25-13-8-14-26(16-15-25)22(28)21-23-20(17-18-9-4-2-5-10-18)27(24-21)19-11-6-3-7-12-19/h2-7,9-12H,8,13-17H2,1H3