1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[(4-ethylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[(4-ethylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-[(4-ethylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-[(4-ethylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(4-ethylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(4-ethylbenzyl)-1,4-diazepane Formula: C20H29ClN4 MolecularWeight: 360.92406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCCN(CC2)CC3=C(N(N=C3C)C)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCCN(CC2)CC3=C(N(N=C3C)C)Cl

InChI

InChI=1S/C20H29ClN4/c1-4-17-6-8-18(9-7-17)14-24-10-5-11-25(13-12-24)15-19-16(2)22-23(3)20(19)21/h6-9H,4-5,10-15H2,1-3H3