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

Systemtic Name: [5-methyl-2-(1,2,3-triazol-2-yl)phenyl]-(4-naphthalen-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [5-methyl-2-(triazol-2-yl)phenyl]-[4-(2-naphthyl)-1,4-diazepan-1-yl]methanone CAS Name: [5-methyl-2-(2-triazolyl)phenyl]-[4-(2-naphthalenyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [5-methyl-2-(triazol-2-yl)phenyl]-(4-naphthalen-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [5-methyl-2-(triazol-2-yl)phenyl]-[4-(2-naphthyl)-1,4-diazepan-1-yl]methanone Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CCCN(CC3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CCCN(CC3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H25N5O/c1-19-7-10-24(30-26-11-12-27-30)23(17-19)25(31)29-14-4-13-28(15-16-29)22-9-8-20-5-2-3-6-21(20)18-22/h2-3,5-12,17-18H,4,13-16H2,1H3