N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-ethoxy-naphthalene-1-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-ethoxy-naphthalene-1-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-ethoxy-naphthalene-1-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-ethoxy-1-naphthalenecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-ethoxynaphthalene-1-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-ethoxy-1-naphthamide Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NCC(C3=CSC=C3)N4CCCCCC4

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NCC(C3=CSC=C3)N4CCCCCC4

InChI

InChI=1S/C25H30N2O2S/c1-2-29-23-12-11-19-9-5-6-10-21(19)24(23)25(28)26-17-22(20-13-16-30-18-20)27-14-7-3-4-8-15-27/h5-6,9-13,16,18,22H,2-4,7-8,14-15,17H2,1H3,(H,26,28)