N-(benzo[b]pyren-6-ylmethyl)propan-1-amine

Systemtic Name: N-(benzo[b]pyren-6-ylmethyl)propan-1-amine Openeye Name: N-(benzo[b]pyren-6-ylmethyl)propan-1-amine CAS Name: N-(6-benzo[b]pyrenylmethyl)-1-propanamine IUPAC Name: N-(benzo[b]pyren-6-ylmethyl)propan-1-amine Traditional Name: benzo[b]pyren-6-ylmethyl(propyl)amine Formula: C24H21N MolecularWeight: 323.43024

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

Isomeric SMILES

CCCNCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

InChI

InChI=1S/C24H21N/c1-2-14-25-15-22-19-9-4-3-8-18(19)20-12-10-16-6-5-7-17-11-13-21(22)24(20)23(16)17/h3-13,25H,2,14-15H2,1H3