N-[(4-benzo[a]anthracen-7-ylphenyl)methyl]-2-chloranyl-N-methyl-ethanamine hydrochloride

Systemtic Name: N-[(4-benzo[a]anthracen-7-ylphenyl)methyl]-2-chloranyl-N-methyl-ethanamine hydrochloride Openeye Name: N-[(4-benzo[a]anthracen-7-ylphenyl)methyl]-2-chloro-N-methyl-ethanamine hydrochloride CAS Name: N-[[4-(7-benzo[a]anthracenyl)phenyl]methyl]-2-chloro-N-methylethanamine hydrochloride IUPAC Name: N-[(4-benzo[a]anthracen-7-ylphenyl)methyl]-2-chloro-N-methylethanamine hydrochloride Traditional Name: (4-benz[a]anthracen-7-ylbenzyl)-(2-chloroethyl)-methyl-amine hydrochloride Formula: C28H25Cl2N MolecularWeight: 446.4108

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCl)CC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=CC5=CC=CC=C52.Cl

Isomeric SMILES

CN(CCCl)CC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=CC5=CC=CC=C52.Cl

InChI

InChI=1S/C28H24ClN.ClH/c1-30(17-16-29)19-20-10-12-22(13-11-20)28-25-9-5-3-7-23(25)18-27-24-8-4-2-6-21(24)14-15-26(27)28;/h2-15,18H,16-17,19H2,1H3;1H