5-methyl-1-(2-methylphenyl)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]pyrazole-4-carboxamide

Systemtic Name: 5-methyl-1-(2-methylphenyl)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]pyrazole-4-carboxamide Openeye Name: 5-methyl-N-[(3S)-5-(4-methylpiperazin-1-yl)chroman-3-yl]-1-(o-tolyl)pyrazole-4-carboxamide CAS Name: 5-methyl-1-(2-methylphenyl)-N-[(3S)-5-(4-methyl-1-piperazinyl)-3,4-dihydro-2H-1-benzopyran-3-yl]-4-pyrazolecarboxamide IUPAC Name: 5-methyl-1-(2-methylphenyl)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]pyrazole-4-carboxamide Traditional Name: 5-methyl-N-[(3S)-5-(4-methylpiperazino)chroman-3-yl]-1-(o-tolyl)pyrazole-4-carboxamide Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)NC3CC4=C(C=CC=C4OC3)N5CCN(CC5)C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)N[C@H]3CC4=C(C=CC=C4OC3)N5CCN(CC5)C)C

InChI

InChI=1S/C26H31N5O2/c1-18-7-4-5-8-23(18)31-19(2)22(16-27-31)26(32)28-20-15-21-24(9-6-10-25(21)33-17-20)30-13-11-29(3)12-14-30/h4-10,16,20H,11-15,17H2,1-3H3,(H,28,32)/t20-/m0/s1