N-[(4-benzo[a]anthracen-7-ylphenyl)methyl]-3-chloranyl-propan-1-amine hydrochloride

Systemtic Name: N-[(4-benzo[a]anthracen-7-ylphenyl)methyl]-3-chloranyl-propan-1-amine hydrochloride Openeye Name: N-[(4-benzo[a]anthracen-7-ylphenyl)methyl]-3-chloro-propan-1-amine hydrochloride CAS Name: N-[[4-(7-benzo[a]anthracenyl)phenyl]methyl]-3-chloro-1-propanamine hydrochloride IUPAC Name: N-[(4-benzo[a]anthracen-7-ylphenyl)methyl]-3-chloropropan-1-amine hydrochloride Traditional Name: (4-benz[a]anthracen-7-ylbenzyl)-(3-chloropropyl)amine hydrochloride Formula: C28H25Cl2N MolecularWeight: 446.4108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)C5=CC=C(C=C5)CNCCCCl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)C5=CC=C(C=C5)CNCCCCl.Cl

InChI

InChI=1S/C28H24ClN.ClH/c29-16-5-17-30-19-20-10-12-22(13-11-20)28-25-9-4-2-7-23(25)18-27-24-8-3-1-6-21(24)14-15-26(27)28;/h1-4,6-15,18,30H,5,16-17,19H2;1H