2-[(4-methyl-2-propyl-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline; 1,2,3-trimethylbenzene

Systemtic Name: 2-[(4-methyl-2-propyl-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline; 1,2,3-trimethylbenzene Openeye Name: 2-[(4-methyl-2-propyl-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline; 1,2,3-trimethylbenzene CAS Name: 2-[(4-methyl-2-propyl-3-pyrazolyl)methyl]-3,4-dihydro-1H-isoquinoline; 1,2,3-trimethylbenzene IUPAC Name: 2-[(4-methyl-2-propylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline; 1,2,3-trimethylbenzene Traditional Name: hemimellitene; 2-[(4-methyl-2-propyl-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline Formula: C26H35N3 MolecularWeight: 389.5762

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)C)CN2CCC3=CC=CC=C3C2.CC1=C(C(=CC=C1)C)C

Isomeric SMILES

CCCN1C(=C(C=N1)C)CN2CCC3=CC=CC=C3C2.CC1=C(C(=CC=C1)C)C

InChI

InChI=1S/C17H23N3.C9H12/c1-3-9-20-17(14(2)11-18-20)13-19-10-8-15-6-4-5-7-16(15)12-19;1-7-5-4-6-8(2)9(7)3/h4-7,11H,3,8-10,12-13H2,1-2H3;4-6H,1-3H3