1-[(4-ethylphenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(4-ethylphenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(4-ethylphenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane CAS Name: 1-[(4-ethylphenyl)methyl]-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-ethylphenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(4-ethylbenzyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Formula: C19H28N4 MolecularWeight: 312.45242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCCN(CC2)CC3=NC=CN3C

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCCN(CC2)CC3=NC=CN3C

InChI

InChI=1S/C19H28N4/c1-3-17-5-7-18(8-6-17)15-22-10-4-11-23(14-13-22)16-19-20-9-12-21(19)2/h5-9,12H,3-4,10-11,13-16H2,1-2H3