1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(1H-pyrrol-2-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(1H-pyrrol-2-ylmethyl)-1,4-diazepane Openeye Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(1H-pyrrol-2-ylmethyl)-1,4-diazepane CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-(1H-pyrrol-2-ylmethyl)-1,4-diazepane IUPAC Name: 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(1H-pyrrol-2-ylmethyl)-1,4-diazepane Traditional Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(1H-pyrrol-2-ylmethyl)-1,4-diazepane Formula: C16H24ClN5 MolecularWeight: 321.84826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)CC3=CC=CN3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)CC3=CC=CN3)Cl)C

InChI

InChI=1S/C16H24ClN5/c1-13-15(16(17)20(2)19-13)12-22-8-4-7-21(9-10-22)11-14-5-3-6-18-14/h3,5-6,18H,4,7-12H2,1-2H3