1-[(3R)-2-azanyl-6-[bis(azanyl)methylideneamino]hex-1-en-3-yl]-2-(3-phenoxyphenyl)-N-pyridin-3-yl-benzimidazole-5-carboxamide

Systemtic Name: 1-[(3R)-2-azanyl-6-[bis(azanyl)methylideneamino]hex-1-en-3-yl]-2-(3-phenoxyphenyl)-N-pyridin-3-yl-benzimidazole-5-carboxamide Openeye Name: 1-[(1R)-1-(1-aminovinyl)-4-guanidino-butyl]-2-(3-phenoxyphenyl)-N-(3-pyridyl)benzimidazole-5-carboxamide CAS Name: 1-[(3R)-2-amino-6-(diaminomethylideneamino)hex-1-en-3-yl]-2-(3-phenoxyphenyl)-N-(3-pyridinyl)-5-benzimidazolecarboxamide IUPAC Name: 1-[(3R)-2-amino-6-(diaminomethylideneamino)hex-1-en-3-yl]-2-(3-phenoxyphenyl)-N-pyridin-3-ylbenzimidazole-5-carboxamide Traditional Name: 1-[(1R)-2-amino-1-(3-guanidinopropyl)allyl]-2-(3-phenoxyphenyl)-N-(3-pyridyl)benzimidazole-5-carboxamide Formula: C32H32N8O2 MolecularWeight: 560.64888

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(CCCN=C(N)N)N1C2=C(C=C(C=C2)C(=O)NC3=CN=CC=C3)N=C1C4=CC(=CC=C4)OC5=CC=CC=C5)N

Isomeric SMILES

C=C([C@@H](CCCN=C(N)N)N1C2=C(C=C(C=C2)C(=O)NC3=CN=CC=C3)N=C1C4=CC(=CC=C4)OC5=CC=CC=C5)N

InChI

InChI=1S/C32H32N8O2/c1-21(33)28(13-7-17-37-32(34)35)40-29-15-14-23(31(41)38-24-9-6-16-36-20-24)19-27(29)39-30(40)22-8-5-12-26(18-22)42-25-10-3-2-4-11-25/h2-6,8-12,14-16,18-20,28H,1,7,13,17,33H2,(H,38,41)(H4,34,35,37)/t28-/m1/s1