[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(5-propan-2-yl-1-pyridin-2-yl-pyrazol-4-yl)methanone

Systemtic Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(5-propan-2-yl-1-pyridin-2-yl-pyrazol-4-yl)methanone Openeye Name: [5-isopropyl-1-(2-pyridyl)pyrazol-4-yl]-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-[5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone Traditional Name: [5-isopropyl-1-(2-pyridyl)pyrazol-4-yl]-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C25H31N5O MolecularWeight: 417.54654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(N(N=C3)C4=CC=CC=N4)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(N(N=C3)C4=CC=CC=N4)C(C)C

InChI

InChI=1S/C25H31N5O/c1-19(2)24-22(17-27-30(24)23-7-4-5-12-26-23)25(31)29-14-6-13-28(15-16-29)18-21-10-8-20(3)9-11-21/h4-5,7-12,17,19H,6,13-16,18H2,1-3H3