azepan-1-yl-[1-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carbonyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carbonyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carbonyl]-4-piperidyl]methanone Formula: C31H38N4O2 MolecularWeight: 498.65902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCC(CC3)C(=O)N4CCCCCC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCC(CC3)C(=O)N4CCCCCC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C31H38N4O2/c1-23-12-13-27(20-24(23)2)29-28(22-35(32-29)21-25-10-6-5-7-11-25)31(37)34-18-14-26(15-19-34)30(36)33-16-8-3-4-9-17-33/h5-7,10-13,20,22,26H,3-4,8-9,14-19,21H2,1-2H3