N-[4-(azepan-1-yl)phenyl]-5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: N-[4-(1-azepanyl)phenyl]-5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxamide Formula: C25H29ClN4O MolecularWeight: 436.97696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3=CC=C(C=C3)N4CCCCCC4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3=CC=C(C=C3)N4CCCCCC4)Cl

InChI

InChI=1S/C25H29ClN4O/c1-18-7-9-20(10-8-18)17-30-24(26)23(19(2)28-30)25(31)27-21-11-13-22(14-12-21)29-15-5-3-4-6-16-29/h7-14H,3-6,15-17H2,1-2H3,(H,27,31)