N-[2-[3-(aminomethyl)phenoxy]-4-chloranyl-phenyl]-4-azanyl-butanamide hydrochloride

Systemtic Name: N-[2-[3-(aminomethyl)phenoxy]-4-chloranyl-phenyl]-4-azanyl-butanamide hydrochloride Openeye Name: 4-amino-N-[2-[3-(aminomethyl)phenoxy]-4-chloro-phenyl]butanamide hydrochloride CAS Name: 4-amino-N-[2-[3-(aminomethyl)phenoxy]-4-chlorophenyl]butanamide hydrochloride IUPAC Name: 4-amino-N-[2-[3-(aminomethyl)phenoxy]-4-chlorophenyl]butanamide hydrochloride Traditional Name: 4-amino-N-[2-[3-(aminomethyl)phenoxy]-4-chloro-phenyl]butyramide hydrochloride Formula: C17H21Cl2N3O2 MolecularWeight: 370.27354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=C(C=CC(=C2)Cl)NC(=O)CCCN)CN.Cl

Isomeric SMILES

C1=CC(=CC(=C1)OC2=C(C=CC(=C2)Cl)NC(=O)CCCN)CN.Cl

InChI

InChI=1S/C17H20ClN3O2.ClH/c18-13-6-7-15(21-17(22)5-2-8-19)16(10-13)23-14-4-1-3-12(9-14)11-20;/h1,3-4,6-7,9-10H,2,5,8,11,19-20H2,(H,21,22);1H