3-[5-azanyl-4-[3-[(3-morpholin-4-ylpropylamino)methyl]phenyl]carbonyl-pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[5-azanyl-4-[3-[(3-morpholin-4-ylpropylamino)methyl]phenyl]carbonyl-pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[5-amino-4-[3-[(3-morpholinopropylamino)methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[5-amino-4-[[3-[[3-(4-morpholinyl)propylamino]methyl]phenyl]-oxomethyl]-1-pyrazolyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[5-amino-4-[3-[(3-morpholin-4-ylpropylamino)methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[5-amino-4-[3-[(3-morpholinopropylamino)methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C29H36N6O3 MolecularWeight: 516.63454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC(=CC=C4)CNCCCN5CCOCC5)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC(=CC=C4)CNCCCN5CCOCC5)N

InChI

InChI=1S/C29H36N6O3/c1-20-6-7-23(29(37)33-24-8-9-24)17-26(20)35-28(30)25(19-32-35)27(36)22-5-2-4-21(16-22)18-31-10-3-11-34-12-14-38-15-13-34/h2,4-7,16-17,19,24,31H,3,8-15,18,30H2,1H3,(H,33,37)