N-butyl-5-(9-methoxy-6,7-dihydro-[1]benzothiepino[5,4-b]indol-12-yl)-N-methyl-pentan-1-amine

Systemtic Name: N-butyl-5-(9-methoxy-6,7-dihydro-[1]benzothiepino[5,4-b]indol-12-yl)-N-methyl-pentan-1-amine Openeye Name: N-butyl-5-(9-methoxy-6,7-dihydro-[1]benzothiepino[5,4-b]indol-12-yl)-N-methyl-pentan-1-amine CAS Name: N-butyl-5-(9-methoxy-6,7-dihydro-[1]benzothiepino[5,4-b]indol-12-yl)-N-methyl-1-pentanamine IUPAC Name: N-butyl-5-(9-methoxy-6,7-dihydro-[1]benzothiepino[5,4-b]indol-12-yl)-N-methylpentan-1-amine Traditional Name: butyl-[5-(9-methoxy-6,7-dihydro-[1]benzothiepin[5,4-b]indol-12-yl)pentyl]-methyl-amine Formula: C27H36N2OS MolecularWeight: 436.65254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)CCCCCN1C2=C(C=C(C=C2)OC)C3=C1C4=CC=CC=C4SCC3

Isomeric SMILES

CCCCN(C)CCCCCN1C2=C(C=C(C=C2)OC)C3=C1C4=CC=CC=C4SCC3

InChI

InChI=1S/C27H36N2OS/c1-4-5-16-28(2)17-9-6-10-18-29-25-14-13-21(30-3)20-24(25)22-15-19-31-26-12-8-7-11-23(26)27(22)29/h7-8,11-14,20H,4-6,9-10,15-19H2,1-3H3