6-azanylidene-9-[3-(azepan-1-ylmethyl)phenyl]-N,N-dimethyl-xanthen-3-amine

Systemtic Name: 6-azanylidene-9-[3-(azepan-1-ylmethyl)phenyl]-N,N-dimethyl-xanthen-3-amine Openeye Name: 9-[3-(azepan-1-ylmethyl)phenyl]-6-imino-N,N-dimethyl-xanthen-3-amine CAS Name: 9-[3-(1-azepanylmethyl)phenyl]-6-imino-N,N-dimethyl-3-xanthenamine IUPAC Name: 9-[3-(azepan-1-ylmethyl)phenyl]-6-imino-N,N-dimethylxanthen-3-amine Traditional Name: [9-[3-(azepan-1-ylmethyl)phenyl]-6-imino-xanthen-3-yl]-dimethyl-amine Formula: C28H31N3O MolecularWeight: 425.56524

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=N)C=C3O2)C4=CC(=CC=C4)CN5CCCCCC5

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=N)C=C3O2)C4=CC(=CC=C4)CN5CCCCCC5

InChI

InChI=1S/C28H31N3O/c1-30(2)23-11-13-25-27(18-23)32-26-17-22(29)10-12-24(26)28(25)21-9-7-8-20(16-21)19-31-14-5-3-4-6-15-31/h7-13,16-18,29H,3-6,14-15,19H2,1-2H3