3-(heptylamino)-2-(phenylcarbonyl)benzo[b]phenalen-7-one

Systemtic Name: 3-(heptylamino)-2-(phenylcarbonyl)benzo[b]phenalen-7-one Openeye Name: 2-benzoyl-3-(heptylamino)benzo[b]phenalen-7-one CAS Name: 2-benzoyl-3-(heptylamino)-7-benzo[b]phenalenone IUPAC Name: 2-benzoyl-3-(heptylamino)benzo[b]phenalen-7-one Traditional Name: 2-benzoyl-3-(heptylamino)benzo[b]phenalen-7-one Formula: C31H29NO2 MolecularWeight: 447.56746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=C(C=C2C3=CC=CC=C3C(=O)C4=CC=CC1=C42)C(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCCCCNC1=C(C=C2C3=CC=CC=C3C(=O)C4=CC=CC1=C42)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H29NO2/c1-2-3-4-5-11-19-32-29-24-17-12-18-25-28(24)26(22-15-9-10-16-23(22)31(25)34)20-27(29)30(33)21-13-7-6-8-14-21/h6-10,12-18,20,32H,2-5,11,19H2,1H3