4-[(E)-[3-cyclopropyl-5-methyl-4-[3-[(phenylmethyl)amino]propyl]pyrrol-2-ylidene]methyl]-5-(1,2,4-triazin-3-yl)-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(E)-[3-cyclopropyl-5-methyl-4-[3-[(phenylmethyl)amino]propyl]pyrrol-2-ylidene]methyl]-5-(1,2,4-triazin-3-yl)-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[4-[3-(benzylamino)propyl]-3-cyclopropyl-5-methyl-pyrrol-2-ylidene]methyl]-5-(1,2,4-triazin-3-yl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[3-cyclopropyl-5-methyl-4-[3-[(phenylmethyl)amino]propyl]-2-pyrrolylidene]methyl]-5-(1,2,4-triazin-3-yl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[4-[3-(benzylamino)propyl]-3-cyclopropyl-5-methylpyrrol-2-ylidene]methyl]-5-(1,2,4-triazin-3-yl)-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[4-[3-(benzylamino)propyl]-3-cyclopropyl-5-methyl-pyrrol-2-ylidene]methyl]-5-(1,2,4-triazin-3-yl)-3-pyrazolin-3-one Formula: C25H27N7O MolecularWeight: 441.52818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=C(NNC2=O)C3=NC=CN=N3)C(=C1CCCNCC4=CC=CC=C4)C5CC5

Isomeric SMILES

CC1=N/C(=C/C2=C(NNC2=O)C3=NC=CN=N3)/C(=C1CCCNCC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C25H27N7O/c1-16-19(8-5-11-26-15-17-6-3-2-4-7-17)22(18-9-10-18)21(29-16)14-20-23(30-32-25(20)33)24-27-12-13-28-31-24/h2-4,6-7,12-14,18,26H,5,8-11,15H2,1H3,(H2,30,32,33)/b21-14+