5-hexan-2-yl-1-[(E)-[(5Z)-3-methoxy-5-pyrrol-2-ylidene-pyrrol-2-ylidene]methyl]-4-methyl-4,5,6,7-tetrahydro-2H-isoindole

Systemtic Name: 5-hexan-2-yl-1-[(E)-[(5Z)-3-methoxy-5-pyrrol-2-ylidene-pyrrol-2-ylidene]methyl]-4-methyl-4,5,6,7-tetrahydro-2H-isoindole Openeye Name: 1-[(E)-[(5Z)-3-methoxy-5-pyrrol-2-ylidene-pyrrol-2-ylidene]methyl]-4-methyl-5-(1-methylpentyl)-4,5,6,7-tetrahydro-2H-isoindole CAS Name: 5-hexan-2-yl-1-[(E)-[(5Z)-3-methoxy-5-(2-pyrrolylidene)-2-pyrrolylidene]methyl]-4-methyl-4,5,6,7-tetrahydro-2H-isoindole IUPAC Name: 5-hexan-2-yl-1-[(E)-[(5Z)-3-methoxy-5-pyrrol-2-ylidenepyrrol-2-ylidene]methyl]-4-methyl-4,5,6,7-tetrahydro-2H-isoindole Traditional Name: 1-[(E)-[(5Z)-3-methoxy-5-pyrrol-2-ylidene-3-pyrrolin-2-ylidene]methyl]-4-methyl-5-(1-methylpentyl)-4,5,6,7-tetrahydro-2H-isoindole Formula: C25H33N3O MolecularWeight: 391.54902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1CCC2=C(NC=C2C1C)C=C3C(=CC(=C4C=CC=N4)N3)OC

Isomeric SMILES

CCCCC(C)C1CCC2=C(NC=C2C1C)/C=C/3\C(=C/C(=C/4\C=CC=N4)/N3)OC

InChI

InChI=1S/C25H33N3O/c1-5-6-8-16(2)18-10-11-19-20(17(18)3)15-27-22(19)13-24-25(29-4)14-23(28-24)21-9-7-12-26-21/h7,9,12-18,27-28H,5-6,8,10-11H2,1-4H3/b23-21-,24-13+