1-butyl-3-[(4-imidazol-1-ylphenyl)methyl]azepane

Systemtic Name: 1-butyl-3-[(4-imidazol-1-ylphenyl)methyl]azepane Openeye Name: 1-butyl-3-[(4-imidazol-1-ylphenyl)methyl]azepane CAS Name: 1-butyl-3-[[4-(1-imidazolyl)phenyl]methyl]azepane IUPAC Name: 1-butyl-3-[(4-imidazol-1-ylphenyl)methyl]azepane Traditional Name: 1-butyl-3-(4-imidazol-1-ylbenzyl)azepane Formula: C20H29N3 MolecularWeight: 311.46436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCCC(C1)CC2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

CCCCN1CCCCC(C1)CC2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C20H29N3/c1-2-3-12-22-13-5-4-6-19(16-22)15-18-7-9-20(10-8-18)23-14-11-21-17-23/h7-11,14,17,19H,2-6,12-13,15-16H2,1H3