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

Systemtic Name: 4-[(E)-[3-cyclopropyl-5-methyl-4-[3-[(phenylmethyl)amino]propyl]pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[4-[3-(benzylamino)propyl]-3-cyclopropyl-5-methyl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[3-cyclopropyl-5-methyl-4-[3-[(phenylmethyl)amino]propyl]-2-pyrrolylidene]methyl]-5-(2-pyrazinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[4-[3-(benzylamino)propyl]-3-cyclopropyl-5-methylpyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[4-[3-(benzylamino)propyl]-3-cyclopropyl-5-methyl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-3-pyrazolin-3-one Formula: C26H28N6O MolecularWeight: 440.54012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N6O/c1-17-20(8-5-11-27-15-18-6-3-2-4-7-18)24(19-9-10-19)22(30-17)14-21-25(31-32-26(21)33)23-16-28-12-13-29-23/h2-4,6-7,12-14,16,19,27H,5,8-11,15H2,1H3,(H2,31,32,33)/b22-14+