1-[2-[[3-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]phenyl]-N,N-dibutyl-5-methyl-pyrazole-3-carboxamide

Systemtic Name: 1-[2-[[3-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]phenyl]-N,N-dibutyl-5-methyl-pyrazole-3-carboxamide Openeye Name: 1-[2-[3-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methyl-pyrazole-3-carboxamide CAS Name: 1-[2-[[3-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]phenyl]-N,N-dibutyl-5-methyl-3-pyrazolecarboxamide IUPAC Name: 1-[2-[3-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide Traditional Name: 1-[2-[3-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methyl-pyrazole-3-carboxamide Formula: C30H39N5O2 MolecularWeight: 501.66296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)C1=NN(C(=C1)C)C2=CC=CC=C2C(=O)N3CC4=CC=CC=C4CC3CN

Isomeric SMILES

CCCCN(CCCC)C(=O)C1=NN(C(=C1)C)C2=CC=CC=C2C(=O)N3CC4=CC=CC=C4CC3CN

InChI

InChI=1S/C30H39N5O2/c1-4-6-16-33(17-7-5-2)30(37)27-18-22(3)35(32-27)28-15-11-10-14-26(28)29(36)34-21-24-13-9-8-12-23(24)19-25(34)20-31/h8-15,18,25H,4-7,16-17,19-21,31H2,1-3H3