8-(azepan-1-ylmethyl)-3-(1,3-dihydrobenzimidazol-2-ylidene)chromene-2,7-dione

Systemtic Name: 8-(azepan-1-ylmethyl)-3-(1,3-dihydrobenzimidazol-2-ylidene)chromene-2,7-dione Openeye Name: 8-(azepan-1-ylmethyl)-3-(1,3-dihydrobenzimidazol-2-ylidene)chromene-2,7-dione CAS Name: 8-(1-azepanylmethyl)-3-(1,3-dihydrobenzimidazol-2-ylidene)-1-benzopyran-2,7-dione IUPAC Name: 8-(azepan-1-ylmethyl)-3-(1,3-dihydrobenzimidazol-2-ylidene)chromene-2,7-dione Traditional Name: 8-(azepan-1-ylmethyl)-3-(1,3-dihydrobenzimidazol-2-ylidene)chromene-2,7-quinone Formula: C23H23N3O3 MolecularWeight: 389.44702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C3C(=CC(=C4NC5=CC=CC=C5N4)C(=O)O3)C=CC2=O

Isomeric SMILES

C1CCCN(CC1)CC2=C3C(=CC(=C4NC5=CC=CC=C5N4)C(=O)O3)C=CC2=O

InChI

InChI=1S/C23H23N3O3/c27-20-10-9-15-13-16(22-24-18-7-3-4-8-19(18)25-22)23(28)29-21(15)17(20)14-26-11-5-1-2-6-12-26/h3-4,7-10,13,24-25H,1-2,5-6,11-12,14H2