N-[(Z)-N'-(3-morpholin-4-ylpropylcarbamoyl)carbamimidoyl]-3-pyrrol-1-yl-benzamide

Systemtic Name: N-[(Z)-N'-(3-morpholin-4-ylpropylcarbamoyl)carbamimidoyl]-3-pyrrol-1-yl-benzamide Openeye Name: N-[(Z)-N'-(3-morpholinopropylcarbamoyl)carbamimidoyl]-3-pyrrol-1-yl-benzamide CAS Name: N-[(Z)-amino-[[3-(4-morpholinyl)propylamino]-oxomethyl]iminomethyl]-3-(1-pyrrolyl)benzamide IUPAC Name: N-[(Z)-N'-(3-morpholin-4-ylpropylcarbamoyl)carbamimidoyl]-3-pyrrol-1-ylbenzamide Traditional Name: N-[(Z)-N'-(3-morpholinopropylcarbamoyl)amidino]-3-pyrrol-1-yl-benzamide Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)N=C(N)NC(=O)C2=CC(=CC=C2)N3C=CC=C3

Isomeric SMILES

C1COCCN1CCCNC(=O)/N=C(/N)\NC(=O)C2=CC(=CC=C2)N3C=CC=C3

InChI

InChI=1S/C20H26N6O3/c21-19(24-20(28)22-7-4-8-25-11-13-29-14-12-25)23-18(27)16-5-3-6-17(15-16)26-9-1-2-10-26/h1-3,5-6,9-10,15H,4,7-8,11-14H2,(H4,21,22,23,24,27,28)